HRID1239178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6344

Dichloromethane

CH2Cl2

HCID8082

Piperidine

C5H11N

HCID31261

2,4-Pentanedione

C5H8O2

HCID85570

Tosylate

C7H7O3S-

HCID4989215

Pyridinium

C5H6N+

HCID57438888

5-Fluoro-2-methyl-4-oxo-4H-1-benzopyran-8-carbaldehyde

C11H7FO3

PRODUCTS

生成物

结构：CC(=O)C(=Cc1ccc(F)c2c(=O)cc(C)oc12)C(C)=O

HCID57503327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d56c9ed0767f409d96ec925b90cbe7aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[CH3:16][C:17]([CH2:18][C:19]([CH3:20])=[O:21])=[O:22].[CH3:23][C:24](=[O:25])[OH:26].[Cl:50][CH2:51][Cl:52].[F:1][c:2]1[c:3]2[c:4](=[O:15])[cH:5][c:6]([CH3:14])[o:7][c:8]2[c:9]([CH:12]=[O:13])[cH:10][cH:11]1.[c:33]1([CH3:34])[cH:35][cH:36][c:37]([S:38]([O-:39])(=[O:40])=[O:41])[cH:42][cH:43]1.[nH+:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[F:1][c:2]1[c:3]2[c:4](=[O:15])[cH:5][c:6]([CH3:14])[o:7][c:8]2[c:9]([CH:12]=[C:18]([C:17]([CH3:16])=[O:22])[C:19]([CH3:20])=[O:21])[cH:10][cH:11]1